2-Chloro-4-hydroxypyrimidine

CAT: 0127-OR925753-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-OR925753-01Size:500 mg

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CAS Number

55873-09-1

MDL Number

MFCD09038284

Purity

95%

Smiles

Oc1ccnc(Cl)n1

Chemical Information

2-Chloropyrimidin-4(3H)-one

CAS Number	55873-09-1
PubChem CID	13678541
IUPAC Name	2-chloro-1H-pyrimidin-6-one
Molecular Formula	C4H3ClN2O
Molecular Weight	130.53
XLogP	0.6
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	173

SMILES

C1=CN=C(NC1=O)Cl

InChI

InChI=1S/C4H3ClN2O/c5-4-6-2-1-3(8)7-4/h1-2H,(H,6,7,8)

InChIKey

FETSYNXZMUAONO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55873-09-1

CID: 13678541

Formula: C4H3ClN2O

MW: 130.53

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.53
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	129.9933904
Monoisotopic Mass	129.9933904
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	173
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR350089-01	4-Chloro-6-hydroxypyrimidine
OR912364-01	5-Chloro-2-hydroxypyrimidine
OR40574-01	2-Chloro-5-hydroxypyrimidine
OR22723-01	4-Hydroxypyrimidine-2-thiol
OR917181-01	4-Hydroxypyrimidine
OR83356	Ethyl 5-chloro-6-hydroxypyrimidine-4-carboxylate
OR5850	2-Hydroxypyrimidine
OR18376-01	2,4-Dimethyl-6-hydroxypyrimidine
OR7522-01	2,4-Diphenyl-6-hydroxypyrimidine
OR322007	4,6-Dimethyl-2-hydroxypyrimidine

Catalog	Name
FC137924-01	2-Chloro-4-hydroxypyrimidine
FC10266-01	4-Chloro-6-hydroxypyrimidine
abx182295-01	6-Chloro-4-hydroxypyrimidine
sc-259471A	2-Amino-4-chloro-6-hydroxypyrimidine
436063-01	5-Chloro-2-hydroxypyrimidine
416917-01	2-Chloro-5-hydroxypyrimidine
267655-01	5-Chloro-2-hydroxypyrimidine
258536-01	2-Amino-4-chloro-5-nitro-6-hydroxypyrimidine
FM11517	2-Methylthio-4-hydroxypyrimidine
abx180275-01	2-Amino-4-Hydroxypyrimidine